Dataset

1H nuclear magnetic resonance spectroscopy (1H NMR)

dataset for 1H nuclear magnetic resonance spectroscopy (1H NMR)

Chemical Information

molecular Image
InChI InChI=1S/C5H10O3/c1-3-8-5(7)4(2)6/h4,6H,3H2,1-2H3
SMILES CCOC(=O)C(O)C
InChI Key LZCLXQDLBQLTDK-UHFFFAOYSA-N
Molecular Formula C5H10O3
Exact Mass 118.131 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/LZCLXQDLBQLTDK-UHFFFAOYSA-N/CHMO0000593
License URL
Source https://www.chemotion-repository.net/inchikey/LZCLXQDLBQLTDK-UHFFFAOYSA-N/CHMO0000593
Version
Author Sonja Herres-Pawlis
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-10-28
Related Molecule
Field Value
Measurement Technique CHMO:0000593
Measurement Variables
Data-Source Molecule ID Data-Source
CHEBI:78321 chebi
CHEMBL3186323 chembl
22598 surechembl
7344 pubchem
F3P750VW8I fdasrs
104578 brenda
106042 brenda
106047 brenda
170811 brenda
21601 brenda
244533 brenda
61267 brenda
HMDB0040735 hmdb
DTXSID6029127 comptox
FDB020545 foodb
Molport-003-987-137 molport
The data in this table is sourced from UniChem at EBI.